SCHEMBL3718754

SCHEMBL3718754

c1ccc(-c2cc(-c3cncc(-c4cnn(CCN5CCOCC5)c4)c3)cc(NC3CC3)n2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NRAS P01111 2/20 0.46
FLT3 P36888 2/20 0.46
MAPK1 P28482 3/20 0.44
CYP11B2 P19099 1/20 0.42
IKBKE Q14164 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MAP4K4 O95819 1/20 0.41
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
GPR39 O43194 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CG P48736 1/20 0.37
HPGDS O60760 1/20 0.37
HIF1A Q16665 2/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4181566 0.89 MAPK1 (0.46) NRASFLT3MAPK1CYP11B2IKBKE
SCHEMBL3715119 0.85 CYP11B2 (0.47) MAPK1CYP11B2IKBKETBK1MKNK1
SCHEMBL3714748 0.75 TGFBR1 (0.46) GPR39
SCHEMBL3665002 0.75 GPR39 (0.47) FLT3GPR39TYRO3
SCHEMBL4192009 0.74 GPR39 (0.43) FLT3GPR39TYRO3SYK
SCHEMBL3728645 0.74 CYP11B1 (0.42) CYP11B2GPR39PIK3CDPIK3CAPIK3CG
SCHEMBL3722850 0.74 ALK (0.45) MKNK1JAK2JAK1JAK3GPR39
SCHEMBL3808218 0.73 ABL1 (0.44) GPR39
SCHEMBL3663705 0.72 GPR39 (0.43) FLT3GPR39TYRO3SYK
SCHEMBL3721745 0.72 CYP11B2 (0.35) MAPK1CYP11B2IKBKETBK1MKNK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 EP disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090215776-A1 Organic compounds REN, RXFP1, MYLK NRAS 957/4885FLT3 4866/4885MAPK1 1200/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.